N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide

C8H15NO2 — CID 159278816

IUPACN-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide
SMILESCCC(=O)N(C)[C@@H](C)C(C)=O
InChIInChI=1S/C8H15NO2/c1-5-8(11)9(4)6(2)7(3)10/h6H,5H2,1-4H3/t6-/m0/s1
InChIKeyKJCXZHSDDQVDAF-LURJTMIESA-N
MW157.21 g/mol
LogP0.83
Rot. Bonds3

About N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide

N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide (PubChem CID 159278816) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide
PubChem CID159278816
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide
SMILESCCC(=O)N(C)[C@@H](C)C(C)=O
InChIInChI=1S/C8H15NO2/c1-5-8(11)9(4)6(2)7(3)10/h6H,5H2,1-4H3/t6-/m0/s1
InChIKeyKJCXZHSDDQVDAF-LURJTMIESA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl 2-[methyl(propanoyl)amino]propanoate
CID 134504961
N-methyl-N-(1-oxopropan-2-yl)propanamide
CID 19757607
ethane;3-[ethyl(methyl)amino]butan-2-one
CID 177194341
N-[1-(ethylamino)ethyl]-N-methylpropanamide
CID 139891854
N-methyl-N-(1-methylsulfonylethyl)propanamide
CID 173145957
(3S)-3-[methyl(propyl)amino]butan-2-one
CID 93295226
methyl N-methyl-N-(3-oxobutan-2-yl)carbamate
CID 59582321
2-[methyl(pentanoyl)amino]propanoic acid
CID 62627616
ethane;(3S)-3-[methyl(propyl)amino]butan-2-one
CID 166155780
3-[[(1S)-1-carboxyethyl]-methylamino]-3-oxopropanoic acid
CID 121390047
5-methoxy-4-(methoxymethyl)-N-methyl-4-(methyldisulfanyl)-N-[(2R)-3-oxobutan-2-yl]pentanamide
CID 134600006
3-[2-ethoxyethyl(methyl)amino]butan-2-one
CID 81057001

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide?
The IUPAC name of N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide (CID 159278816) is N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide.
What is the SMILES notation for N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide?
The canonical SMILES for N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide is CCC(=O)N(C)[C@@H](C)C(C)=O.
What is the InChIKey of N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide?
The InChIKey is KJCXZHSDDQVDAF-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-8(11)9(4)6(2)7(3)10/h6H,5H2,1-4H3/t6-/m0/s1.
What are the key properties of N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide?
N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide has a molecular weight of 157.21 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2S)-3-oxobutan-2-yl]propanamide is sourced from PubChem (CID 159278816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).